(Q53578891)

English

Molecular dynamics of interactions between rigid and flexible antifolates and dihydrofolate reductase from pyrimethamine-sensitive and pyrimethamine-resistant Plasmodium falciparum.

scientific article published on 4 June 2014

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scholarly article

1 reference

Europe PubMed Central

PubMed publication ID

15 May 2018

http://europepmc.org/abstract/MED/24716467

Molecular dynamics of interactions between rigid and flexible antifolates and dihydrofolate reductase from pyrimethamine-sensitive and pyrimethamine-resistant Plasmodium falciparum. (English)

1 reference

Europe PubMed Central

PubMed publication ID

15 May 2018

http://europepmc.org/abstract/MED/24716467

Plasmodium falciparum

0 references

0 references

bifunctional dihydrofolate reductase-thymidylate synthase

1 reference

10 September 2018

bifunctional dihydrofolate reductase-thymidylate synthase, putative

1 reference

19 December 2018

Supa Hannongbua

3

1 reference

Europe PubMed Central

PubMed publication ID

15 May 2018

http://europepmc.org/abstract/MED/24716467

Sissades Tongsima

5

1 reference

Europe PubMed Central

PubMed publication ID

15 May 2018

http://europepmc.org/abstract/MED/24716467

Sumalee Kamchonwongpaisan

6

object named as

Sumalee Kamchonwongpaisan

1 reference

Europe PubMed Central

PubMed publication ID

15 May 2018

http://europepmc.org/abstract/MED/24716467

author name string

Wanwimon Mokmak

1

1 reference

Europe PubMed Central

PubMed publication ID

15 May 2018

http://europepmc.org/abstract/MED/24716467

Surasak Chunsrivirot

2

1 reference

Europe PubMed Central

PubMed publication ID

15 May 2018

http://europepmc.org/abstract/MED/24716467

Yongyuth Yuthavong

4

1 reference

Europe PubMed Central

PubMed publication ID

15 May 2018

http://europepmc.org/abstract/MED/24716467

publication date

4 June 2014

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Europe PubMed Central

PubMed publication ID

15 May 2018

http://europepmc.org/abstract/MED/24716467

Chemical Biology and Drug Design

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Europe PubMed Central

PubMed publication ID

15 May 2018

http://europepmc.org/abstract/MED/24716467

84

1 reference

Europe PubMed Central

PubMed publication ID

15 May 2018

http://europepmc.org/abstract/MED/24716467

4

1 reference

Europe PubMed Central

PubMed publication ID

15 May 2018

http://europepmc.org/abstract/MED/24716467

450-461

1 reference

Europe PubMed Central

PubMed publication ID

15 May 2018

http://europepmc.org/abstract/MED/24716467

Targeting DHFR in parasitic protozoa

1 reference

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21 January 2018

DNA and RNA synthesis: antifolates

1 reference

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21 January 2018

Inhibitors of de novo folate enzymes in Plasmodium falciparum

1 reference

https://api.crossref.org/works/10.1111%2FCBDD.12334

21 January 2018

Structure, dynamics, and catalytic function of dihydrofolate reductase

1 reference

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21 January 2018

Malarial dihydrofolate reductase as a paradigm for drug development against a resistance-compromised target

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Malarial (Plasmodium falciparum) dihydrofolate reductase-thymidylate synthase: structural basis for antifolate resistance and development of effective inhibitors

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21 January 2018

Insights into antifolate resistance from malarial DHFR-TS structures

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Trypanosomal dihydrofolate reductase reveals natural antifolate resistance

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Characterization, crystallization and preliminary X-ray analysis of bifunctional dihydrofolate reductase-thymidylate synthase from Plasmodium falciparum

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A computational study of the protein-ligand interactions in CDK2 inhibitors: using quantum mechanics/molecular mechanics interaction energy as a predictor of the biological activity.

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21 January 2018

Comparison of multiple molecular dynamics trajectories calculated for the drug-resistant HIV-1 integrase T66I/M154I catalytic domain.

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21 January 2018

Drug resistance in HIV-1 protease: Flexibility-assisted mechanism of compensatory mutations

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21 January 2018

Molecular modeling study of dihydrofolate reductase inhibitors. Molecular dynamics simulations, quantum mechanical calculations, and experimental corroboration

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21 January 2018

Molecular modeling studies of Yersinia pestis dihydrofolate reductase

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21 January 2018

Modelling and informatics in the analysis of P. falciparum DHFR enzyme inhibitors.

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A common feature-based 3D-pharmacophore model generation and virtual screening: identification of potential PfDHFR inhibitors

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21 January 2018

Shape- and chemical feature-based 3D-pharmacophore model generation and virtual screening: identification of potential leads for P. falciparum DHFR enzyme inhibition

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21 January 2018

In silico screening against wild-type and mutant Plasmodium falciparum dihydrofolate reductase

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21 January 2018

Modeling the inhibition of quadruple mutant Plasmodium falciparum dihydrofolate reductase by pyrimethamine derivatives

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21 January 2018

Identification of the optimal third generation antifolate against P. falciparum and P. vivax

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WISDOM-II: screening against multiple targets implicated in malaria using computational grid infrastructures

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ArchPRED: a template based loop structure prediction server.

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21 January 2018

Development and testing of a general amber force field

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21 January 2018

Protonated state of methotrexate, trimethoprim, and pyrimethamine bound to dihydrofolate reductase

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21 January 2018

The Amber biomolecular simulation programs

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21 January 2018

A point-charge force field for molecular mechanics simulations of proteins based on condensed-phase quantum mechanical calculations

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21 January 2018

Vulnerability in Popular Molecular Dynamics Packages Concerning Langevin and Andersen Dynamics

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Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes

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21 January 2018

Revisiting free energy calculations: a theoretical connection to MM/PBSA and direct calculation of the association free energy

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Development of 2,4-diaminopyrimidines as antimalarials based on inhibition of the S108N and C59R+S108N mutants of dihydrofolate reductase from pyrimethamine-resistant Plasmodium falciparum

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Pyrimethamine analogs as strong inhibitors of double and quadruple mutants of dihydrofolate reductase in human malaria parasites

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The search for new DHFR inhibitors: a review of patents, January 2001 – February 2005

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Identifiers

10.1111/CBDD.12334

1 reference

Europe PubMed Central

PubMed publication ID

15 May 2018

http://europepmc.org/abstract/MED/24716467

PubMed publication ID

1 reference

Europe PubMed Central

PubMed publication ID

15 May 2018

http://europepmc.org/abstract/MED/24716467

ResearchGate publication ID

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